| Properties | Image |
|---|
| MNX_ID | MNXM1182835 |
 |
| reference | envipathM:...5989f66ef1c0 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | QFPSHFUIKLBKEV-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-19-33(47)25(42)13-31(53-19)57-35-21(3)55-32(15-27(35)44)58-34-20(2)54-30(14-26(34)43)56-23-6-8-36(4)38(48,16-23)10-11-40(50)39(49)9-7-24(22-12-29(46)52-18-22)37(39,5)28(45)17-41(36,40)51/h12,19-21,23-24,26,28,30-35,43,45,47-51H,6-11,13-18H2,1-5H3 |
| SMILES | CC1OC(OC2C(=O)CC(OC3C(O)CC(OC4CCC5(C)C(O)(CCC6(O)C7(O)CCC(C8=CC(=O)OC8)C7(C)C(O)CC56O)C4)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-19-33(47)25(42)13-31(53-19)57-35-21(3)55-32(15-27(35)44)58-34-20(2)54-30(14-26(34)43)56-23-6-8-36(4)38(48,16-23)10-11-40(50)39(49)9-7-24(22-12-29(46)52-18-22)37(39,5)28(45)17-41(36,40)51/h12,19-21,23-24,26,28,30-35,43,45,47-51H,6-11,13-18H2,1-5H3/t19?,20?,21?,23?,24?,26?,28?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[CH:33]([OH:47])[C:25](=[O:42])[CH2:13][CH:31]([O:57][CH:35]2[CH:21]([CH3:3])[O:55][CH:32]([O:58][CH:34]3[CH:20]([CH3:2])[O:54][CH:30]([O:56][CH:23]4[CH2:6][CH2:8][C:36]5([CH3:4])[C:38]([OH:48])([CH2:10][CH2:11][C:40]6([OH:50])[C:39]7([OH:49])[CH2:9][CH2:7][CH:24]([C:22]8=[CH:12][C:29](=[O:46])[O:52][CH2:18]8)[C:37]7([CH3:5])[CH:28]([OH:45])[CH2:17][C:41]56[OH:51])[CH2:16]4)[CH2:14][CH:26]3[OH:43])[CH2:15][C:27]2=[O:44])[O:53]1 |
|